Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.37 |
| ▸ | HTR2C | P28335 | 6/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7031042 | 0.93 | S1PR1 (0.39) | HTR2AHTR2CS1PR1SLC6A2SLC6A4 | |
| SCHEMBL7031261 | 0.92 | HTR2A (0.37) | HTR2AHTR2CS1PR1SLC6A2SLC6A4 | |
| SCHEMBL7031110 | 0.91 | S1PR1 (0.41) | HTR2AHTR2CS1PR1CYP2C9CYP3A4 | |
| SCHEMBL7028715 | 0.89 | HTR2A (0.32) | HTR2AHTR2CS1PR1SLC6A2SLC6A4 | |
| SCHEMBL7030006 | 0.86 | RARB (0.39) | HTR2AHTR2CS1PR1MAOAMAOB | |
| SCHEMBL10456881 | 0.85 | S1PR1 (0.43) | HTR2AHTR2CS1PR1 | |
| SCHEMBL10456966 | 0.85 | S1PR1 (0.43) | HTR2AHTR2CS1PR1 | |
| SCHEMBL7031462 | 0.84 | HTR2A (0.34) | HTR2AHTR2CSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7028684 | 0.84 | HTR2A (0.35) | HTR2AHTR2CNPC1GPR84 | |
| SCHEMBL7028454 | 0.84 | HTR2A (0.35) | HTR2AHTR2CNPC1GPR84 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0754668-B1 | Fluorobenzylether derivatives | ROLIC AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| EP-0754668-A2 | Fluorobenzylether derivatives | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |